UCSF

ZINC37095768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.73 7.25 -120.64 4 3 2 45 266.429 7
Mid Mid (pH 6-8) 2.73 7.76 -26.46 3 3 1 44 265.421 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )